(1S,5R)-6-ethynyl-3-azabicyclo[3.1.0]hexane;hydrochloride

C7H10ClN — CID 155973796

IUPAC(1S,5R)-6-ethynyl-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESC#CC1[C@H]2CNC[C@@H]12.Cl
InChIInChI=1S/C7H9N.ClH/c1-2-5-6-3-8-4-7(5)6;/h1,5-8H,3-4H2;1H/t5?,6-,7+;
InChIKeyGCKYDXZKJXIYBA-FXFNDYDPSA-N
MW143.62 g/mol
LogP0.51
Rot. Bonds

About (1S,5R)-6-ethynyl-3-azabicyclo[3.1.0]hexane;hydrochloride

(1S,5R)-6-ethynyl-3-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 155973796) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is (1S,5R)-6-ethynyl-3-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name(1S,5R)-6-ethynyl-3-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID155973796
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name(1S,5R)-6-ethynyl-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESC#CC1[C@H]2CNC[C@@H]12.Cl
InChIInChI=1S/C7H9N.ClH/c1-2-5-6-3-8-4-7(5)6;/h1,5-8H,3-4H2;1H/t5?,6-,7+;
InChIKeyGCKYDXZKJXIYBA-FXFNDYDPSA-N
XLogP0.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-ethynyl-3-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of (1S,5R)-6-ethynyl-3-azabicyclo[3.1.0]hexane;hydrochloride (CID 155973796) is (1S,5R)-6-ethynyl-3-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for (1S,5R)-6-ethynyl-3-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for (1S,5R)-6-ethynyl-3-azabicyclo[3.1.0]hexane;hydrochloride is C#CC1[C@H]2CNC[C@@H]12.Cl.
What is the InChIKey of (1S,5R)-6-ethynyl-3-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is GCKYDXZKJXIYBA-FXFNDYDPSA-N. The full InChI is InChI=1S/C7H9N.ClH/c1-2-5-6-3-8-4-7(5)6;/h1,5-8H,3-4H2;1H/t5?,6-,7+;.
What are the key properties of (1S,5R)-6-ethynyl-3-azabicyclo[3.1.0]hexane;hydrochloride?
(1S,5R)-6-ethynyl-3-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 143.62 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-ethynyl-3-azabicyclo[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 155973796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).